3-acetyl-1,3-thiazol-2-one

C5H5NO2S — CID 12021789

IUPAC3-acetyl-1,3-thiazol-2-one
SMILESCC(=O)n1ccsc1=O
InChIInChI=1S/C5H5NO2S/c1-4(7)6-2-3-9-5(6)8/h2-3H,1H3
InChIKeyXQPWRZXAAOWOLQ-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.57
Rot. Bonds

About 3-acetyl-1,3-thiazol-2-one

3-acetyl-1,3-thiazol-2-one (PubChem CID 12021789) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 3-acetyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-acetyl-1,3-thiazol-2-one
PubChem CID12021789
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name3-acetyl-1,3-thiazol-2-one
SMILESCC(=O)n1ccsc1=O
InChIInChI=1S/C5H5NO2S/c1-4(7)6-2-3-9-5(6)8/h2-3H,1H3
InChIKeyXQPWRZXAAOWOLQ-UHFFFAOYSA-N
XLogP0.57
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,3-thiazol-2-one?
The IUPAC name of 3-acetyl-1,3-thiazol-2-one (CID 12021789) is 3-acetyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-acetyl-1,3-thiazol-2-one?
The canonical SMILES for 3-acetyl-1,3-thiazol-2-one is CC(=O)n1ccsc1=O.
What is the InChIKey of 3-acetyl-1,3-thiazol-2-one?
The InChIKey is XQPWRZXAAOWOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-4(7)6-2-3-9-5(6)8/h2-3H,1H3.
What are the key properties of 3-acetyl-1,3-thiazol-2-one?
3-acetyl-1,3-thiazol-2-one has a molecular weight of 143.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,3-thiazol-2-one is sourced from PubChem (CID 12021789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).